%chk=000003964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003964

0 1
 Cl   1.751800       4.027100       1.460800    
 O   -2.132100      0.6145000      -1.336000    
 N    1.524000      -1.016800     -0.3990000    
 N    4.344200      -1.377400     -0.2002000    
 N  -0.6883000      -1.592300     -0.1322000    
 C    2.419300     -0.2564000      -1.270100    
 C    2.064000      -2.286900      8.4100001E-02
 C    3.781900     -7.8699999E-02 -0.5975000    
 C    3.434400      -2.065600      0.7271000    
 C   0.2226000     -0.6572000     -0.2013000    
 C    5.662300      -1.202500      0.4082000    
 C  -6.1099999E-02  0.8035000     -8.4100001E-02
 C   -1.198500       1.367700     -0.6675000    
 C   -2.052600      -1.345200      7.9800002E-02
 C   0.8503000       1.634800      0.5795000    
 C   -2.760300     -0.3035000     -0.5290000    
 C   -1.408800       2.748800     -0.6243000    
 C   0.6285000       3.012200      0.6415000    
 C  -0.4962000       3.569300      3.5599999E-02
 C   -2.766900      -2.247600      0.8793000    
 C   -4.142200     -0.1693000     -0.3637000    
 C   -4.144200      -2.107900       1.067000    
 C   -4.832100      -1.070700      0.4422000    
 H    2.026800      0.7179000      -1.576200    
 H    2.546500     -0.8212000      -2.203600    
 H    2.141500      -2.990100     -0.7542000    
 H    1.403000      -2.742100      0.8312000    
 H    4.453600      0.4086000      -1.314900    
 H    3.699800      0.5865000      0.2700000    
 H    3.316200      -1.486200       1.652800    
 H    3.848600      -3.043100       1.001800    
 H    6.351400     -0.7262000     -0.2981000    
 H    6.098600      -2.174100      0.6653000    
 H    5.622500     -0.5909000       1.316900    
 H    1.714600       1.214800       1.085500    
 H   -2.285100       3.187700      -1.093600    
 H  -0.6752000       4.640800      7.0799999E-02
 H   -2.251600      -3.077500       1.358100    
 H   -4.680300      0.6384000     -0.8521000    
 H   -4.680200      -2.816100       1.692100    
 H   -5.904100     -0.9671000      0.5811000    


%chk=000003964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003964

0 1
Cl 1.498319 4.480217 1.436068
O -2.134554 0.577194 -1.392423
N 1.605262 -0.810607 -0.182633
N 4.398366 -1.513917 -0.226737
N -0.618611 -1.435545 0.154289
C 2.556058 -0.092634 -1.066455
C 2.024975 -2.205279 0.082012
C 3.968995 -0.116990 -0.459115
C 3.447736 -2.214652 0.669004
C 0.252507 -0.468356 -0.083673
C 5.794878 -1.610877 0.237827
C -0.075118 0.996564 -0.098699
C -1.257359 1.474163 -0.722310
C -2.010219 -1.279272 0.262416
C 0.754758 1.933594 0.574587
C -2.784515 -0.348524 -0.498399
C -1.578566 2.846701 -0.734860
C 0.415436 3.296175 0.566459
C -0.732192 3.777500 -0.095212
C -2.732698 -2.200234 1.074981
C -4.188739 -0.341263 -0.471726
C -4.140531 -2.188537 1.127593
C -4.877831 -1.265711 0.346280
H 2.223425 0.943750 -1.225401
H 2.586287 -0.602623 -2.053085
H 2.004285 -2.792785 -0.859295
H 1.299175 -2.657001 0.775217
H 4.674941 0.360546 -1.163761
H 3.972039 0.483339 0.489219
H 3.423001 -1.747206 1.687780
H 3.779671 -3.263066 0.786302
H 6.465032 -1.126509 -0.494882
H 6.086707 -2.673482 0.315948
H 5.967078 -1.131026 1.234623
H 1.645725 1.582008 1.102896
H -2.489110 3.171644 -1.246076
H -0.967363 4.845415 -0.099838
H -2.150474 -2.930191 1.646455
H -4.722521 0.383482 -1.094746
H -4.665138 -2.908895 1.764693
H -5.972516 -1.267109 0.367780


